SMILES:
CC(C)(CN1C(=O)C2(C)COCCN2c2nc(Cl)ncc21)OC1CCCCO1Molecular Processing
Molecular formula
C19H27ClN4O4
Molecular weight
410.9
Exact mass
410.1721
XLogP
2.39
TPSA
77.02
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.737
Molar refractivity
104.72
Supplementary Information
Details werden geladen…
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